2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C41H26BrN3 — CID 129227933

IUPAC2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C41H26BrN3/c42-38-26-25-36(34-17-9-10-18-37(34)38)35-24-23-31(32-15-7-8-16-33(32)35)27-19-21-30(22-20-27)41-44-39(28-11-3-1-4-12-28)43-40(45-41)29-13-5-2-6-14-29/h1-26H
InChIKeySWMZZVHPRNATOQ-UHFFFAOYSA-N
MW640.58 g/mol
LogP11.28
Rot. Bonds5

About 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 129227933) has the molecular formula C41H26BrN3 and a molecular weight of 640.58 g/mol. Its IUPAC name is 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID129227933
Molecular FormulaC41H26BrN3
Molecular Weight640.58 g/mol
Exact Mass639.13
IUPAC Name2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C41H26BrN3/c42-38-26-25-36(34-17-9-10-18-37(34)38)35-24-23-31(32-15-7-8-16-33(32)35)27-19-21-30(22-20-27)41-44-39(28-11-3-1-4-12-28)43-40(45-41)29-13-5-2-6-14-29/h1-26H
InChIKeySWMZZVHPRNATOQ-UHFFFAOYSA-N
XLogP11.28
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.58
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 129227933) is 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is Brc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc23)c2ccccc12.
What is the InChIKey of 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is SWMZZVHPRNATOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26BrN3/c42-38-26-25-36(34-17-9-10-18-37(34)38)35-24-23-31(32-15-7-8-16-33(32)35)27-19-21-30(22-20-27)41-44-39(28-11-3-1-4-12-28)43-40(45-41)29-13-5-2-6-14-29/h1-26H.
What are the key properties of 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 640.58 g/mol, XLogP of 11.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 129227933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).